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BDBM50076830 4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid [(S)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-1-(4-methoxy-phenyl)-2-oxo-ethyl]-amide::CHEMBL274142

SMILES: COc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1

InChI Key: InChIKey=IYCWBOGOBBQXNV-SVEHJYQDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076830   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50076830
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES COc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C30H37FN4O5S/c1-40-26-9-7-24(8-10-26)29(30(37)35-17-13-22(11-15-31)14-18-35)34-41(38,39)28-20-32-16-12-27(28)33-25(21-36)19-23-5-3-2-4-6-23/h2-10,12,16,20,22,25,29,34,36H,11,13-15,17-19,21H2,1H3,(H,32,33)/t25-,29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin


Bioorg Med Chem Lett 9: 1103-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00138-9
BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair